Polypeptide for inhibiting novel coronavirus (SARS-COV-2) and application of polypeptide

A virus and virus infection technology, applied in the direction of viral peptides, viruses, antiviral agents, etc., to prevent membrane fusion and prevent viruses from infecting cells

Active Publication Date: 2021-08-17
SHENZHEN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

And there is no peptide for SARS-COV-2 before

Method used

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  • Polypeptide for inhibiting novel coronavirus (SARS-COV-2) and application of polypeptide
  • Polypeptide for inhibiting novel coronavirus (SARS-COV-2) and application of polypeptide
  • Polypeptide for inhibiting novel coronavirus (SARS-COV-2) and application of polypeptide

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Experimental program
Comparison scheme
Effect test

Embodiment 1

[0035] Search for HR area:

[0036] Download the protein sequence of the S protein of SARS-COV-2 from the NCBI database (GenBank: QHQ82464.1) and perform multiple sequence alignment with the HR1 and HR2 sequences of SARS and MERS respectively through ClustalW software (the gap penalty is set to 10 , the extension penalty is set to 0.2). The HR1 and HR2 sequences of SARS and MERS will be aligned to SARS-COV-2, and the aligned SARS-COV-2 sequence will be its HR region.

[0037] The sequence of HR1 is shown as amino acid in SEQ ID NO:1:

[0038]YRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDKVE

[0039] The sequence of HR2 is shown as amino acid in SEQ ID NO:2:

[0040] ELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGK YEQYIKWPWY

Embodiment 2

[0042] 1) Modeling of HR1 / HR2 fusion nucleus:

[0043] Using the HR region obtained above, place HR1 at the N-terminal of the complex, place HR2 at the C-terminal of the complex, and connect HR1 and HR2 with a linking sequence of 22 amino acids according to conventional techniques to obtain HR1 / HR2 fusion core; wherein, the linking sequence is LVPRGSGGSGGSGGLEVLFQGP (see figure 2 ).

[0044] Depend on figure 2 The overall structure of the HR1 / HR2 fusion core can be seen, and the two helix structures in the molecule correspond to the HR1 and HR2 domains. The HR1 domain ranges from Q920 to Q965 and the HR2 domain ranges from I1163 to L1202. The fragment between Q965 and I1169 is the connecting peptide. It can be observed that HR2 is mainly connected with two HR1 fragments in the HR1 / HR2 trimer through hydrogen bonds and hydrophobic interactions ( image 3 B).

[0045] After obtaining the HR1 / HR2 complex, use the protein sequence of the complex to model: use the SWISS-MO...

Embodiment 4

[0060] The inhibitory peptides obtained above and the modified inhibitory peptides were tested for their ability to bind to proteins by molecular docking and molecular dynamics simulations:

[0061] 1) Experimental method:

[0062] Use PyMOL to delete the HR1 and connecting peptide in the structure, and separate out the individual HR2 fragments. After HR2 is isolated from the fusion nucleus, use the GRAMM-X website (http: / / vakser.compbio.ku.edu / resources / gramm / grammx / ) to dock HR2 or the above-mentioned examples to obtain inhibitory peptides or modified peptides to the fusion nucleus. Molecular simulations were then performed using GROMACS software. Set the umbrella sampling window to 0.4, and take the 170 to 330 frames of the simulation results for umbrella sampling. Use the wham command to calculate its energy through the pullf.xvg file in the result (use the WeightedHistogram Analysis Method (WHAM) to calculate the Potential of Mean Force (PMF)). The analysis process is...

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Abstract

The invention relates to the field of biological medicine, in particular to a polypeptide for inhibiting novel coronavirus (SARS-COV-2) and application of the polypeptide. The invention relates to a functional peptide in the novel coronavirus. A heptapeptide repeat 2 (HR2) sequence in the novel coronavirus has an amino acid sequence as shown in SEQ ID NO: 2. The polypeptide for inhibiting the novel coronavirus SARS-CoV-2 is a sequence with the same function as the amino acid sequence of heptapeptide repeat 2 (HR2) in the novel coronavirus. The invention discloses the amino acid sequence of the heptapeptide repeat 2 (HR2) in the novel coronavirus (SARS-CoV-2) and also provides an inhibition sequence of the heptapeptide repeat 2 (HR2); and the inhibition sequence can be combined with an HR1 region of S protein of the novel coronavirus SARS-CoV-2 so as to prevent the SARS-CoV-2 from being fused with target cells, and thus, a brand new method is provided for preventing and treating the novel coronavirus SARS-CoV-2.

Description

technical field [0001] The invention relates to the field of biomedicine, in particular to a polypeptide for inhibiting novel coronavirus (SARS-COV-2) and its application. Background technique [0002] The 2019 novel coronavirus (SARS-COV-2) is a newly identified positive-sense RNA enveloped virus. On February 11, 2020, the new virus was named by the World Health Organization. People infected with the virus develop varying degrees of symptoms, ranging from fever or mild cough, to pneumonia, and in more severe cases, death. The virus is currently looking at about 2% to 4% fatality rate, but this is a very early percentage that may change as more information becomes available. On January 30, the World Health Organization (WHO) declared the new coronavirus outbreak a public health emergency of international concern. [0003] The detailed pathway by which SARS-COV-2 enters host cells is unclear. However, the gene sequence of SARS-COV-2 is similar to severe acute respiratory ...

Claims

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Application Information

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IPC IPC(8): C07K14/165A61K38/16A61P31/14
CPCC07K14/005A61P31/14C12N2770/20022C12N2770/20033A61K38/00
Inventor 江一舟凌荣崧黄文杰黄博轩戴雅蓉
Owner SHENZHEN UNIV
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